SCHEMBL30729909

SCHEMBL30729909

Nc1ccc(Oc2ccnc(N3CCC(C(F)(F)F)C3)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SLC2A1 P11166 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
SPR P35270 1/20 0.33
SCD O00767 3/20 0.33
OPRD1 P41143 2/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
KCNH2 Q12809 1/20 0.32
MALT1 Q9UDY8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27096974 1.00 MAP4K4 (0.41) MAP4K4ALDH1A1HTTSLC2A1CCNC
SCHEMBL27096932 0.82 MALT1 (0.45) CCNCCDK8KDM4EMAPTMALT1
SCHEMBL30885063 0.79 MALT1 (0.44) ALDH1A1KDM4EMAPTMALT1
SCHEMBL27309672 0.79 MALT1 (0.44) ALDH1A1KDM4EMAPTMALT1
SCHEMBL29834705 0.78 MAP4K4 (0.43) MAP4K4CCNCCDK8ACACBSCN10A
SCHEMBL30729915 0.76 NPC1 (0.46) ALDH1A1CCNCCDK8KDM4EMAPT
SCHEMBL29834832 0.74 MAP4K4 (0.39) MAP4K4ALDH1A1CCNCCDK8ACACB
SCHEMBL16785630 0.70 MAP4K4 (0.46) MAP4K4KCNH2
SCHEMBL2415575 0.69 PDE7A (0.42) ALDH1A1KDM4EMAPTKCNH2
SCHEMBL20694232 0.69 MALT1 (0.45) ALDH1A1SCDKDM4EMAPTMALT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed